%chk=000240962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240962

0 1
O 2.705627 -0.373169 -2.259271
O -1.535009 -1.807612 2.293352
N -0.555186 0.732522 -0.540567
C 0.222134 -0.444598 -1.022283
C -1.326347 0.458296 0.711889
C 1.491421 -0.758844 -0.266045
C -2.389569 -0.580458 0.459440
C 0.044749 2.024585 -0.663433
C 2.739824 -0.711682 -0.917054
C -2.483716 -1.717724 1.287602
C 1.471133 -1.136473 1.079568
C -3.316635 -0.438324 -0.574641
C 3.947112 -1.005173 -0.251726
C -3.479250 -2.694950 1.103613
C 2.656613 -1.431357 1.768254
C -4.319271 -1.400978 -0.782135
C 1.061560 2.259672 -1.616961
C -0.459667 3.126571 0.063767
C 3.887961 -1.362125 1.099552
C -4.395147 -2.519599 0.057753
C 1.540549 3.547850 -1.836276
C 0.028962 4.411247 -0.164028
C 1.034139 4.639899 -1.114222
C 5.257335 -0.935264 -0.965828
C -3.559991 -3.890782 1.994854
C 2.618172 -1.819435 3.211878
C -5.295176 -1.218812 -1.899357
C 1.543949 6.024267 -1.357873
H 0.450619 -0.273859 -2.105295
H -0.451353 -1.335150 -0.994332
H -1.825461 1.398323 1.057586
H -0.654479 0.134753 1.547728
H 0.506614 -1.197352 1.601337
H -3.244069 0.429984 -1.233121
H 1.482704 1.430605 -2.190920
H -1.246009 2.981499 0.804339
H 4.807987 -1.588818 1.634738
H -5.172022 -3.265497 -0.099917
H 2.320678 3.705598 -2.579078
H -0.377877 5.244877 0.405760
H 5.148869 -0.640531 -2.021339
H 5.927688 -0.202731 -0.491873
H 5.771049 -1.907614 -0.950643
H -4.525580 -3.929142 2.520765
H -3.464755 -4.823036 1.418396
H -2.770664 -3.901020 2.762463
H 1.599251 -1.818309 3.620463
H 3.029222 -2.826575 3.365284
H 3.209998 -1.125339 3.825348
H -5.872553 -0.291291 -1.774887
H -4.780497 -1.152166 -2.869099
H -6.017086 -2.041409 -1.973265
H 3.626665 -0.330195 -2.636505
H -1.658148 -2.645744 2.817871
H 1.691196 6.574696 -0.419477
H 2.504985 6.028907 -1.886802
H 0.833152 6.598985 -1.968450


%chk=000240962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240962

0 1
O 2.544854 -0.534921 -2.393986
O -1.723169 -1.545333 2.471623
N -0.561193 0.860323 -0.350563
C 0.104968 -0.331509 -0.924856
C -1.619357 0.679447 0.675384
C 1.428752 -0.719661 -0.258443
C -2.512226 -0.527932 0.425786
C 0.014354 2.139474 -0.513753
C 2.628332 -0.805434 -1.003855
C -2.567217 -1.612016 1.335769
C 1.485943 -1.015067 1.126264
C -3.347470 -0.573225 -0.714976
C 3.868522 -1.151617 -0.397974
C -3.428015 -2.724123 1.123210
C 2.695030 -1.365483 1.769618
C -4.217742 -1.659431 -0.970005
C 1.016161 2.378062 -1.508447
C -0.385667 3.257090 0.282157
C 3.876922 -1.423006 0.987584
C -4.239337 -2.724460 -0.035033
C 1.536907 3.668316 -1.715563
C 0.150695 4.543108 0.054493
C 1.115049 4.787728 -0.950928
C 5.139961 -1.217653 -1.227643
C -3.459049 -3.874785 2.115048
C 2.731950 -1.677546 3.257115
C -5.112387 -1.674470 -2.198305
C 1.682877 6.175798 -1.196876
H 0.268485 -0.180065 -2.004787
H -0.605820 -1.170548 -0.832714
H -2.265740 1.577219 0.635719
H -1.197056 0.629262 1.699213
H 0.559248 -0.975554 1.710992
H -3.297816 0.264237 -1.423051
H 1.394585 1.556106 -2.122291
H -1.097283 3.136216 1.103223
H 4.828624 -1.687218 1.467201
H -4.905306 -3.579069 -0.209926
H 2.297206 3.807798 -2.495872
H -0.187189 5.373186 0.688500
H 5.389321 -0.241657 -1.693259
H 6.000187 -1.496549 -0.596985
H 5.075690 -1.973566 -2.037093
H -3.775682 -3.548796 3.126971
H -4.174738 -4.647633 1.790260
H -2.472733 -4.373720 2.211576
H 1.751228 -1.490314 3.727442
H 3.000281 -2.735265 3.445604
H 3.479711 -1.054776 3.783422
H -5.915098 -0.916133 -2.121300
H -4.541207 -1.449278 -3.117664
H -5.596223 -2.657336 -2.334250
H 3.441877 -0.566983 -2.808014
H -1.820178 -2.360162 3.023337
H 1.297486 6.902437 -0.459748
H 2.787719 6.183917 -1.128158
H 1.418372 6.552568 -2.204294


